UCSF
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Analogs

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Popular Name: N-(3-thienylmethyl)thieno[3,2-c]pyridin-4-amine N-(3-thienylmethyl)thieno[3,2-c]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 7.2 -31.47 2 2 1 26 247.368 3 ↓
Hi High (pH 8-9.5) 2.78 6.85 -5.52 1 2 0 25 246.36 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-thienyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-1-(3-thienyl)ethyl]thien…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 8.07 -30.78 2 2 1 26 261.395 3 ↓
Hi High (pH 8-9.5) 3.34 7.73 -5.92 1 2 0 25 260.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-thienyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-1-(3-thienyl)ethyl]thien…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 8.07 -30.8 2 2 1 26 261.395 3 ↓
Hi High (pH 8-9.5) 3.34 7.73 -5.9 1 2 0 25 260.387 3 ↓

Parameters Provided:

ring.id = 179385
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 179385 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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